![3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine structure](/static/products/5595/55955-91-4.webp)
3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine
TL;DR: 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine (CAS 55955-91-4) is a chemical compound with molecular formula C15H14BrNO and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine
Also Known As: 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine, 3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine, 3-Benzyl-6-bromo-3,4-dihydro-2H-1,3-benzoxazine, 6-Bromo-3,4-dihydro-3- -2H-1,3-benzoxazine, 6-Bromo-3,4-dihydro-3-(phenylmethyl)-2H-1,3-benzoxazine
| Molecular Formula | C15H14BrNO |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.02588 |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 55955-91-4 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)Br)OCN1CC3=CC=CC=C3 |
| InChIKey | FURVLZKWBDTECA-UHFFFAOYSA-N |
Product Overview
3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine (CAS 55955-91-4), with molecular formula C15H14BrNO and molecular weight 303.03 g/mol. IUPAC: 3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine.
Chemical Property Profile of 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine
Property Insights of 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine
The XLogP value of 3.8 indicates that 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine?
The CAS number of 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine is 55955-91-4.
What is the molecular formula of 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine?
The molecular formula of 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine is C15H14BrNO.
What is the molecular weight of 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine?
The molecular weight of 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine is 303.03 g/mol.
Where can I buy 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine?
You can request a quote for 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-6-bromo-3,4-dihydro-2H-benzo[e][1,3]oxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.